Cas no 93980-60-0 (Docosyl dihydrogen citrate)
Docosyl dihydrogen citrate structure
Product Name:Docosyl dihydrogen citrate
CAS No:93980-60-0
MF:C28H52O7
MW:500.708290100098
CID:810233
PubChem ID:44144718
Update Time:2025-04-19
Docosyl dihydrogen citrate Chemical and Physical Properties
Names and Identifiers
-
- Docosyl dihydrogen citrate
- 2-(2-docosoxy-2-oxoethyl)-2-hydroxybutanedioic acid
- 2-[2-(DOCOSYLOXY)-2-OXOETHYL]-2-HYDROXYBUTANEDIOIC ACID
- 93980-60-0
- NS00064462
- EINECS 301-038-3
- DTXSID80916791
-
- Inchi： 1S/C28H52O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-35-26(31)24-28(34,27(32)33)23-25(29)30/h34H,2-24H2,1H3,(H,29,30)(H,32,33)
- InChI Key： NAZHSSDKCGVJMJ-UHFFFAOYSA-N
- SMILES： O(C(CC(C(=O)O)(CC(=O)O)O)=O)CCCCCCCCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 500.37130399g/mol
- Monoisotopic Mass: 500.37130399g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 35
- Rotatable Bond Count: 27
- Complexity: 549
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 9.3
- Topological Polar Surface Area: 121?2
Docosyl dihydrogen citrate Related Literature
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
93980-60-0 (Docosyl dihydrogen citrate) Related Products
- 77-93-0(Triethyl citrate)
- 77-94-1(Tributyl citrate)
- 24817-92-3(trihexyl O-acetylcitrate)
- 82469-79-2(trihexyl O-butyrylcitrate)
- 144-15-0(Acetyl trioctyl citrate)
- 77-89-4(Triethyl O-Acetylcitrate)
- 19958-02-2(Citric Acid 1,2-Diethyl Ester)
- 1587-20-8(Trimethyl citrate)
- 77-90-7(Tributyl O-Acetylcitrate)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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